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Chemical ID: 4907795

c1cc(c(cc1C2C(Cc3c(cc(cc3O2)OC4C(C(C(CO4)O)O)O)O)O)O)O

Chemical ID:

4907795

Name [?]:

2-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-chroman-7-yl]oxytetrahydropyran-3,4,5-triol

SMILES [?]:

c1cc(c(cc1C2C(Cc3c(cc(cc3O2)OC4C(C(C(CO4)O)O)O)O)O)O)O

InChi [?]:

InChI=1/C20H22O10/c21-11-2-1-8(3-13(11)23)19-14(24)6-10-12(22)4-9(5-16(10)30-19)29-20-18(27)17(26)15(25)7-28-20/h1-5,14-15,17-27H,6-7H2

InChi Info:

AuxInfo=1/0/N:1,2,5,12,14,9,22,6,13,10,3,11,4,8,21,15,20,19,7,18,30,27,29,28,24,25,26,23,17,16/rA:30cCCCCCCCCCCCCCCCOOCCCCCOOOOOOOO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s7s15;s13;s17;s18;s19;s20;s21;s18s22;s21;s20;s19;s11;s8;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₂O₁₀
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	6

ZAP Information [?]

Total:	5.34852
Area:	605.385
Solvation:	-9.7861
Coulombic:	-140.729

Bond Count [?]

All:	33
Single:	27
Double:	6
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	422.383
H-Bond Donors:	7
H-Bond Acceptors:	10
XLogP:	-0.39
LogP (Chemaxon):	1.02

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value